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HUMAN ABL2 IN COMPLEX WITH AURORA KINASE INHIBITOR VX-680 |
This entry was created with PDB-REDO version 7.25. |
From original header | |||||||
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Spacegroup | P 32 2 1 | a: 170.500 Å | b: 170.500 Å | c: 100.651 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
Resolution | 2.81 Å | Reflections | 41525 | Test set | 2086 (5.0%) | ||
R | 0.2460 | R-free | 0.2840 | ||||
According to PDB-REDO | |||||||
Resolution | 2.81 Å | Reflections | 41525 | Test set | 2086 (5.0%) | ||
Twin | false | Radiation damage | N/A | ||||
PDB-REDO files | |||||||
Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
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Links | |||||||
PDBe | RCSB PDB | 3D bionotes | Proteopedia |
Original | PDB-REDO | |
---|---|---|
Crystallographic refinement | ||
R | 0.2480 | 0.2199 |
R-free | 0.2827 | 0.2477 |
Bond length RMS Z-score | 0.491 | 0.677 |
Bond angle RMS Z-score | 0.630 | 1.049 |
Model quality | ||
Ramachandran plot normality | -1.481 40 | -2.215 26 |
Rotamer normality | -3.193 37 | -5.621 11 |
Coarse packing | N/A N/A | -1.218 11 |
Fine packing | N/A N/A | -0.800 61 |
Bump severity | 0.024 35 | 0.111 9 |
Hydrogen bond satisfaction | 0.873 23 | 0.838 10 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 5 |
Side chains flipped | 165 |
Waters removed | 7 |
Peptides flipped | 14 |
Chiralities fixed | 0 |
Residues fitting density better | 160 |
Residues fitting density worse | 14 |